%chk=000289180.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289180

0 1
S 2.333384 1.480738 0.452917
O 1.871829 1.844675 1.773357
O 3.553581 2.063759 -0.072255
O -5.203491 -1.515729 -0.920869
O -4.182486 -1.673631 1.063073
N 1.103730 1.923733 -0.687205
C -0.271882 1.614096 -0.531775
C 2.403519 -0.230828 0.315078
C 1.528540 2.642596 -1.913131
C -0.820026 1.453453 0.760774
C -1.104228 1.439801 -1.660209
C -2.978577 0.908331 -0.211262
C 3.350205 -0.821034 -0.531269
C 1.531639 -1.041966 1.052735
C -2.155411 1.094708 0.910906
C -2.442619 1.089953 -1.493421
C 2.539037 -3.023886 0.079751
C 3.420031 -2.208295 -0.652075
C 1.594429 -2.429231 0.935980
C -4.419830 0.522304 -0.037255
C 2.601757 -4.509050 -0.037501
C -4.541271 -0.963021 0.156350
H 2.538302 3.081202 -1.775096
H 0.841040 3.475165 -2.142208
H 1.567099 1.966555 -2.783666
H -0.218329 1.649872 1.657137
H -0.708199 1.563688 -2.664606
H 4.047626 -0.191074 -1.096308
H 0.797437 -0.589736 1.729978
H -2.564441 0.958547 1.913802
H -3.072376 0.949983 -2.372691
H 4.160062 -2.658162 -1.311226
H 0.909681 -3.053014 1.509250
H -5.030317 0.849412 -0.910615
H -4.864485 1.038360 0.844362
H 1.620319 -4.936181 -0.294559
H 3.310925 -4.852357 -0.802656
H 2.909592 -4.969273 0.914633
H -5.309997 -2.500260 -0.846224


%chk=000289180-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000289180

0 1
S 2.366454 1.647362 0.623716
O 1.832758 1.933287 2.131711
O 3.807440 2.198117 0.098020
O -4.481936 -1.739486 -1.107104
O -4.151938 -1.926631 1.185816
N 1.010280 2.482780 -0.634050
C -0.280112 1.900960 -0.476624
C 2.327107 -0.219320 0.343415
C 1.630825 2.508040 -1.975662
C -0.943894 2.073339 0.775134
C -0.961224 1.214723 -1.525441
C -2.917075 0.873756 -0.075427
C 3.237871 -0.767071 -0.574472
C 1.393800 -0.988547 1.061021
C -2.233941 1.547893 0.970076
C -2.266841 0.726337 -1.326623
C 2.276176 -2.987194 -0.087695
C 3.202733 -2.164801 -0.781050
C 1.377630 -2.380484 0.832061
C -4.325510 0.319637 0.143143
C 2.256040 -4.489697 -0.300423
C -4.312281 -1.202183 0.181880
H 2.660382 2.886965 -1.867266
H 1.060504 3.227863 -2.590654
H 1.658915 1.530130 -2.503768
H -0.433082 2.620419 1.572197
H -0.483358 1.078759 -2.500579
H 3.967183 -0.126473 -1.081028
H 0.721696 -0.518746 1.785589
H -2.724779 1.679501 1.941205
H -2.783986 0.211491 -2.144662
H 3.909286 -2.620636 -1.483857
H 0.660506 -3.003242 1.379240
H -4.999959 0.643671 -0.667726
H -4.728437 0.672254 1.106271
H 1.233166 -4.852920 -0.508720
H 2.903286 -4.791613 -1.140884
H 2.610217 -5.021058 0.603229
H -4.430102 -2.732978 -1.058006


